SCHEMBL3326770

SCHEMBL3326770

COc1cc(-c2cn(-c3nccc(N4CCOCC4)n3)cn2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 1.00
▸ ERN1 O75460 1/20 0.48
▸ SUV39H2 Q9H5I1 4/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ ATR Q13535 1/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ ZAP70 P43403 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3327066 0.92 MTOR (1.00) MTORERN1SUV39H2JAK2JAK3
SCHEMBL1310166 0.85 MTOR (1.00) MTORERN1PIK3CAPIK3CD
SCHEMBL3326778 0.81 MTOR (0.68) MTORERN1SUV39H2JAK2JAK3
SCHEMBL2440966 0.77 MTOR (0.83) MTORERN1PIK3CAPIK3CD
SCHEMBL3326656 0.76 MTOR (0.67) MTORERN1SUV39H2JAK2JAK3
SCHEMBL3325520 0.73 MTOR (0.56) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL3327637 0.73 MTOR (1.00) MTORERN1JAK2JAK3PIK3CA
SCHEMBL5457199 0.69 PIK3CA (0.55) MTORPIK3CAPIK3CD
SCHEMBL27720647 0.67 CYP2C19 (0.50) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL6935879 0.66 MTOR (0.53) MTORERN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 — — US disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 — — EP disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 — — US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060199804-A1 Compounds CA4, CA6, CYP2B6 MTOR 3648/4885ERN1 3579/4885SUV39H2 1944/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 MTOR 3596/4885ERN1 3561/4885SUV39H2 1542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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